5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine

C15H12F2N4O — CID 11645134

IUPAC5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1
InChIInChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)
InChIKeyUDMADSHXMKHDNN-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.65
Rot. Bonds3

About 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine

5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine (PubChem CID 11645134) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine
PubChem CID11645134
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1
InChIInChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)
InChIKeyUDMADSHXMKHDNN-UHFFFAOYSA-N
XLogP2.65
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
7-(2-Ethoxynaphthalen-1-Yl)-6-Methylquinazoline-2,4-Diamine
CID 53346511
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
5-(4-Fluorophenoxy)quinazoline-2,4-diamine
CID 2824486
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
N-(8-ethoxy-4-methylquinazolin-2-yl)guanidine
CID 2840092
CID 2952997
CID 2952997

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine (CID 11645134) is 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine?
The InChIKey is UDMADSHXMKHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine?
5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine has a molecular weight of 302.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 11645134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).